MMsINC Database Search


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MMsINC code: MMs02479621

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(N1CCCCC1CNC(=O)C)c1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-12(18)16-11-14-9-5-6-10-17(14)15(19)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,16,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.815 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.3591	SlogP: 1.8174	Reactive groups: 0

Topological Properties
Globularity: 0.161669	Sterimol/B1: 2.22408	Sterimol/B2: 2.63361	Sterimol/B3: 4.34333
Sterimol/B4: 9.42821	Sterimol/L: 12.3788

Surface and Volume Properties
Accessible surface: 493.087	Positive charged surface: 333.452	Negative charged surface: 159.635	Volume: 260
Hydrophobic surface: 440.036	Hydrophilic surface: 53.051

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.